3OX5

crystal structure of the calcium sensor calcium-binding protein 1 (cabp1)

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 15
  • Norm. En. per Res.: -4.4284
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-51.9741	-25.8555	-314.36	-392.1895	137	23	3	13931	8	55	65
A-C	-6.7201	0.0	-5.6714	-12.3914	13	0	0	313	4	10	16
A-E	-58.267	-33.9794	-208.868	-301.1145	85	9	2	8284	6	82	79
A-F	0.0	5.571	-3.8032	1.7678	16	0	1	403	0	12	23
B-C	-84.8831	-78.131	-204.893	-367.9071	90	15	2	8730	9	83	78
B-D	0.0	1.7721	-4.0913	-2.3192	19	0	1	453	0	13	22
B-E	0.0	0.0	-4.7328	-4.7328	13	0	0	240	3	10	16
C-D	-96.8357	-29.0863	-351.665	-477.5871	144	26	3	14663	11	57	67
C-F	0.0	2.5162	-6.0346	-3.5184	16	0	1	466	0	12	21
D-E	-11.7246	-43.5702	-11.1313	-66.4261	15	1	1	516	3	12	20
D-F	-40.7059	-56.901	-157.449	-255.0559	84	17	2	7289	4	78	76
E-F	-87.5352	-29.3016	-337.673	-454.5098	140	28	3	14352	11	56	67

Interface residues

• A-B: ALA127A, ALA127B, ALA93A, ALA93B, ALA96A, ALA96B, ARG139A, ARG146A, ARG146B, ARG163A, ARG163B, ARG167A, ARG167B, ARG17A, ARG17B, ARG45A, ARG45B, ARG52A, ARG52B, ASN43A, ASN43B, ASN71A, ASN71B, ASN73A, ASN73B, ASP140A, ASP140B, ASP147A, ASP147B, ASP16A, ASP16B, ASP46A, ASP46B, ASP97A, ASP97B, CYS44A, CYS44B, GLN135A, GLN135B, GLN68A, GLN68B, GLN69A, GLN69B, GLU143A, GLU143B, GLU160A, GLU160B, GLU60A, GLU60B, GLU62A, GLU62B, GLU65A, GLU65B, GLU85A, GLU85B, GLU94A, GLU94B, GLY133A, GLY137A, GLY137B, HIS134A, HIS134B, ILE141A, ILE141B, ILE144A, ILE144B, ILE145A, ILE145B, ILE42A, ILE42B, ILE64A, ILE64B, LEU124A, LEU124B, LEU131A, LEU131B, LEU132A, LEU132B, LEU47A, LEU47B, LEU63A, LEU63B, LEU66A, LEU66B, LEU86A, LEU86B, LEU92A, LEU92B, LYS90A, LYS90B, MET128A, MET128B, MET15A, MET15B, MET164A, MET164B, MET165A, MET165B, MET51A, MET51B, MET57A, MET57B, MET61A, MET61B, MET72A, MET72B, MET87A, MET87B, MET98A, MET98B, PHE111A, PHE111B, PHE161A, PHE161B, PRO58A, PRO58B, PRO89A, PRO89B, SER166A, SER166B, SER18A, SER18B, SER67A, SER67B, THR59A, THR59B, THR95A, THR95B, TYR41B, TYR56A, TYR56B, VAL136A, VAL136B, VAL148A, VAL148B, VAL162A, VAL162B
• A-C: ARG146A, ARG163A, ARG163C, ARG167A, ASN151A, ASN151C, ASP147A, ASP149A, GLU159C, GLY152A, LEU150A, LEU150C, VAL101C
• A-E: ALA30A, ALA30E, ALA96A, ALA96E, ARG105A, ARG105E, ARG109A, ARG45A, ARG45E, ARG52A, ARG52E, ASN49A, ASN49E, ASP106A, ASP106E, ASP112A, ASP112E, ASP116A, ASP116E, ASP157A, ASP157E, ASP37A, ASP37E, ASP46A, ASP46E, ASP97A, ASP97E, CYS50A, CYS50E, GLU103A, GLU103E, GLU118A, GLU118E, GLU159A, GLU159E, GLU25A, GLU26A, GLU26E, GLU29A, GLU29E, GLU33A, GLU33E, GLU94A, GLU94E, GLY100A, GLY100E, GLY115A, GLY115E, GLY117A, GLY117E, GLY48A, GLY48E, GLY55A, GLY55E, ILE99A, ILE99E, LEU104A, LEU104E, LEU91A, LYS102A, LYS102E, MET51A, MET51E, MET54A, MET54E, MET57A, MET57E, MET98A, MET98E, PHE108A, PHE108E, PHE158A, PHE158E, PRO58A, PRO58E, THR53A, THR53E, THR95A, THR95E, TYR56A, TYR56E, VAL101A, VAL101E, VAL162A, VAL162E
• A-F: ARG146F, ARG163A, ARG167F, ASN151A, ASN151F, ASP147F, ASP149F, ASP157A, GLU159A, GLU160A, GLY152A, GLY152F, LEU150A, LEU150F, PHE158A, VAL148F
• B-C: ALA30B, ALA30C, ALA96B, ALA96C, ARG105B, ARG105C, ARG109B, ARG109C, ARG45B, ARG45C, ARG52B, ARG52C, ASN43C, ASN49B, ASN49C, ASP106B, ASP106C, ASP112B, ASP112C, ASP116B, ASP116C, ASP157B, ASP157C, ASP37B, ASP37C, ASP46B, ASP46C, ASP97B, ASP97C, CYS50B, CYS50C, GLU103B, GLU103C, GLU118B, GLU118C, GLU159B, GLU159C, GLU22B, GLU23B, GLU25B, GLU26B, GLU26C, GLU29B, GLU29C, GLU33B, GLU33C, GLU94B, GLU94C, GLY100B, GLY100C, GLY115B, GLY115C, GLY117B, GLY117C, GLY48B, GLY48C, GLY55B, GLY55C, ILE99B, ILE99C, LEU104B, LEU104C, LEU27B, LEU91B, LYS102B, LYS102C, MET51B, MET51C, MET54B, MET54C, MET57B, MET57C, MET98B, MET98C, PHE108B, PHE108C, PHE158B, PHE158C, PRO58B, PRO58C, THR53B, THR53C, THR95B, THR95C, TYR56B, TYR56C, VAL101B, VAL101C, VAL162B, VAL162C
• B-D: ARG146D, ARG163B, ARG163D, ARG167D, ASN151B, ASN151D, ASP147D, ASP149D, ASP153B, ASP157B, GLU159B, GLU160B, GLY152B, GLY152D, LEU150B, LEU150D, PHE158B, VAL101B, VAL148D
• B-E: ARG146B, ARG163B, ARG163E, ARG167B, ASN151B, ASN151E, ASP147B, ASP149B, GLU159E, GLY152B, LEU150B, LEU150E, VAL101E
• C-D: ALA107C, ALA107D, ALA127C, ALA127D, ALA93C, ALA93D, ALA96C, ALA96D, ARG139C, ARG139D, ARG146D, ARG163C, ARG163D, ARG167C, ARG167D, ARG17C, ARG17D, ARG45C, ARG45D, ARG52C, ARG52D, ASN43C, ASN43D, ASN71C, ASN71D, ASN73C, ASN73D, ASP140C, ASP140D, ASP147C, ASP147D, ASP149C, ASP16C, ASP16D, ASP46C, ASP46D, ASP97C, ASP97D, CYS44C, CYS44D, GLN135C, GLN135D, GLN68C, GLN68D, GLN69C, GLN69D, GLU143C, GLU143D, GLU160C, GLU160D, GLU60C, GLU60D, GLU62C, GLU62D, GLU65C, GLU65D, GLU85C, GLU85D, GLU94C, GLU94D, GLY133D, GLY137C, GLY137D, HIS134C, HIS134D, ILE119D, ILE141C, ILE141D, ILE144C, ILE144D, ILE145C, ILE145D, ILE42C, ILE42D, ILE64C, ILE64D, LEU124C, LEU124D, LEU131C, LEU131D, LEU132C, LEU132D, LEU47C, LEU47D, LEU63C, LEU63D, LEU66C, LEU66D, LEU86C, LEU86D, LEU92C, LEU92D, LYS90C, LYS90D, MET128C, MET128D, MET15C, MET15D, MET164C, MET164D, MET165C, MET165D, MET51C, MET51D, MET57C, MET57D, MET61C, MET61D, MET72C, MET72D, MET87C, MET87D, MET98C, MET98D, PHE111C, PHE111D, PHE161C, PHE161D, PRO58C, PRO58D, PRO89C, PRO89D, SER166C, SER166D, SER18C, SER18D, SER67C, SER67D, THR59C, THR59D, THR95C, THR95D, TYR41C, TYR41D, TYR56C, TYR56D, VAL136C, VAL136D, VAL148C, VAL148D, VAL156C, VAL156D, VAL162C, VAL162D
• C-F: ARG146C, ARG163C, ARG167C, ASN151C, ASN151F, ASP147C, ASP149C, ASP157F, GLU159F, GLU160F, GLY152C, GLY152F, LEU150C, LEU150F, PHE158F, VAL101F
• D-E: ARG146E, ARG163D, ARG163E, ARG167E, ASN151D, ASN151E, ASP147E, ASP149E, ASP157D, GLU159D, GLU160D, GLY152D, GLY152E, LEU150D, LEU150E
• D-F: ALA30D, ALA96D, ALA96F, ARG105D, ARG105F, ARG109D, ARG109F, ARG45D, ARG45F, ARG52D, ARG52F, ASN49D, ASN49F, ASP106D, ASP106F, ASP112D, ASP112F, ASP116D, ASP116F, ASP157D, ASP157F, ASP37D, ASP37F, ASP46D, ASP46F, ASP97D, ASP97F, CYS50D, CYS50F, GLU103D, GLU103F, GLU118D, GLU118F, GLU159D, GLU159F, GLU26D, GLU26F, GLU29D, GLU29F, GLU33D, GLU33F, GLU94D, GLU94F, GLY100D, GLY100F, GLY115D, GLY115F, GLY117D, GLY117F, GLY48D, GLY48F, GLY55D, GLY55F, ILE99D, ILE99F, LEU104D, LEU104F, LEU91D, LYS102D, LYS102F, MET51D, MET51F, MET54D, MET54F, MET57D, MET57F, MET98D, MET98F, PHE108D, PHE108F, PHE158D, PHE158F, PRO58D, PRO58F, THR53D, THR53F, THR95D, THR95F, TYR56D, TYR56F, VAL101D, VAL101F, VAL162D, VAL162F
• E-F: ALA107E, ALA107F, ALA127E, ALA127F, ALA93E, ALA93F, ALA96E, ALA96F, ARG139E, ARG163E, ARG163F, ARG167E, ARG167F, ARG17E, ARG17F, ARG45E, ARG45F, ARG52E, ARG52F, ASN43E, ASN43F, ASN71E, ASN71F, ASN73E, ASN73F, ASP140E, ASP140F, ASP147E, ASP147F, ASP149E, ASP16E, ASP16F, ASP46E, ASP46F, ASP97E, ASP97F, CYS44E, CYS44F, GLN135E, GLN135F, GLN68E, GLN68F, GLN69E, GLN69F, GLU143E, GLU143F, GLU160E, GLU160F, GLU60E, GLU60F, GLU62E, GLU62F, GLU65E, GLU65F, GLU85E, GLU85F, GLU94E, GLU94F, GLY137E, GLY137F, HIS134E, HIS134F, ILE119E, ILE141E, ILE141F, ILE144E, ILE144F, ILE145E, ILE145F, ILE42E, ILE42F, ILE64E, ILE64F, LEU124E, LEU124F, LEU131E, LEU131F, LEU132E, LEU132F, LEU47E, LEU47F, LEU63E, LEU63F, LEU66E, LEU66F, LEU86E, LEU86F, LEU92E, LEU92F, LYS90E, LYS90F, MET128E, MET128F, MET15E, MET15F, MET164E, MET164F, MET165E, MET165F, MET51E, MET51F, MET57E, MET57F, MET61E, MET61F, MET72E, MET72F, MET87E, MET87F, MET98E, MET98F, PHE111E, PHE111F, PHE161E, PHE161F, PRO58E, PRO58F, PRO89E, PRO89F, SER166E, SER166F, SER18E, SER18F, SER67E, SER67F, THR59E, THR59F, THR95E, THR95F, TYR41E, TYR41F, TYR56E, TYR56F, VAL136E, VAL136F, VAL148E, VAL148F, VAL156F, VAL162E, VAL162F